4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one

C17H15NO3S — CID 46891261

IUPAC4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccc(-c3cccs3)cc2o1
InChIInChI=1S/C17H15NO3S/c19-17-11-14(18-5-7-20-8-6-18)13-4-3-12(10-15(13)21-17)16-2-1-9-22-16/h1-4,9-11H,5-8H2
InChIKeyWPOISDXDFNAMSY-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.36
Rot. Bonds2

About 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one

4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one (PubChem CID 46891261) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one
PubChem CID46891261
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccc(-c3cccs3)cc2o1
InChIInChI=1S/C17H15NO3S/c19-17-11-14(18-5-7-20-8-6-18)13-4-3-12(10-15(13)21-17)16-2-1-9-22-16/h1-4,9-11H,5-8H2
InChIKeyWPOISDXDFNAMSY-UHFFFAOYSA-N
XLogP3.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one?
The IUPAC name of 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one (CID 46891261) is 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one.
What is the SMILES notation for 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one?
The canonical SMILES for 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one is O=c1cc(N2CCOCC2)c2ccc(-c3cccs3)cc2o1.
What is the InChIKey of 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one?
The InChIKey is WPOISDXDFNAMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-17-11-14(18-5-7-20-8-6-18)13-4-3-12(10-15(13)21-17)16-2-1-9-22-16/h1-4,9-11H,5-8H2.
What are the key properties of 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one?
4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one has a molecular weight of 313.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-7-thiophen-2-ylchromen-2-one is sourced from PubChem (CID 46891261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).